6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline

C23H34N6 — CID 126896083

IUPAC6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
SMILESCN1CCCCC1CN1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C23H34N6/c1-26-9-3-2-6-20(26)17-27-12-14-28(15-13-27)19-7-8-22-21(16-19)23(25-18-24-22)29-10-4-5-11-29/h7-8,16,18,20H,2-6,9-15,17H2,1H3
InChIKeyUOGWLTZVSSFRMT-UHFFFAOYSA-N
MW394.57 g/mol
LogP2.84
Rot. Bonds4

About 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline

6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline (PubChem CID 126896083) has the molecular formula C23H34N6 and a molecular weight of 394.57 g/mol. Its IUPAC name is 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
PubChem CID126896083
Molecular FormulaC23H34N6
Molecular Weight394.57 g/mol
Exact Mass394.28
IUPAC Name6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
SMILESCN1CCCCC1CN1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C23H34N6/c1-26-9-3-2-6-20(26)17-27-12-14-28(15-13-27)19-7-8-22-21(16-19)23(25-18-24-22)29-10-4-5-11-29/h7-8,16,18,20H,2-6,9-15,17H2,1H3
InChIKeyUOGWLTZVSSFRMT-UHFFFAOYSA-N
XLogP2.84
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
7-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]azepan-2-one
CID 126896117
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851
4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896199
4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896178
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896200
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896177
6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896112

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline (CID 126896083) is 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline is CN1CCCCC1CN1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1.
What is the InChIKey of 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline?
The InChIKey is UOGWLTZVSSFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6/c1-26-9-3-2-6-20(26)17-27-12-14-28(15-13-27)19-7-8-22-21(16-19)23(25-18-24-22)29-10-4-5-11-29/h7-8,16,18,20H,2-6,9-15,17H2,1H3.
What are the key properties of 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline?
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline has a molecular weight of 394.57 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 126896083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).